methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate

C19H27N3O2 — CID 159841950

IUPACmethyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate
SMILESCCCC1=Cc2c(ncc(C(=O)OC)c2NC2CCC(N)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-4-12-9-15-17(10-12)21-11-16(19(23)24-2)18(15)22-14-7-5-13(20)6-8-14/h9,11,13-14H,3-8,10,20H2,1-2H3,(H,21,22)
InChIKeyNOUDLORUIATSCG-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.29
Rot. Bonds5

About methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate

methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate (PubChem CID 159841950) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate
PubChem CID159841950
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namemethyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate
SMILESCCCC1=Cc2c(ncc(C(=O)OC)c2NC2CCC(N)CC2)C1
InChIInChI=1S/C19H27N3O2/c1-3-4-12-9-15-17(10-12)21-11-16(19(23)24-2)18(15)22-14-7-5-13(20)6-8-14/h9,11,13-14H,3-8,10,20H2,1-2H3,(H,21,22)
InChIKeyNOUDLORUIATSCG-UHFFFAOYSA-N
XLogP3.29
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridin-3-yl]-3-(4-imidazol-1-ylphenyl)propan-1-one
CID 159366155
1-[4-[(4-hydroxycyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridin-3-yl]-3-(4-imidazol-1-ylphenyl)propan-1-one
CID 158899932
4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146434970
4-[(4-aminocyclohexyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576316
ethyl 4-[(4-methylcyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624764
methyl 5-[(4-aminocyclohexyl)amino]-2-fluorobenzoate
CID 79730467
ethyl 4-(cyclopropylamino)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 66733175
methyl 2-[(4-ethylcyclohexyl)amino]-1,3-thiazole-5-carboxylate
CID 80570930
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
methyl 4-[(4-methylcyclohexyl)amino]pyrimidine-5-carboxylate
CID 114214703
methyl 3-[[3-(benzylcarbamoyl)-8-ethyl-9H-pyrido[3,2-c]azepin-4-yl]amino]cyclohexane-1-carboxylate
CID 142872835
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate (CID 159841950) is methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate is CCCC1=Cc2c(ncc(C(=O)OC)c2NC2CCC(N)CC2)C1.
What is the InChIKey of methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate?
The InChIKey is NOUDLORUIATSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-4-12-9-15-17(10-12)21-11-16(19(23)24-2)18(15)22-14-7-5-13(20)6-8-14/h9,11,13-14H,3-8,10,20H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate?
methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-aminocyclohexyl)amino]-6-propyl-7H-cyclopenta[b]pyridine-3-carboxylate is sourced from PubChem (CID 159841950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).